4-N-(1-methoxypropan-2-yl)-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine

C16H22N4O — CID 115915445

IUPAC4-N-(1-methoxypropan-2-yl)-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine
SMILESCNc1cc(N(C)C(C)COC)nc(-c2ccccc2)n1
InChIInChI=1S/C16H22N4O/c1-12(11-21-4)20(3)15-10-14(17-2)18-16(19-15)13-8-6-5-7-9-13/h5-10,12H,11H2,1-4H3,(H,17,18,19)
InChIKeyIEWLVUVFODCCIB-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.66
Rot. Bonds6

About 4-N-(1-methoxypropan-2-yl)-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine

4-N-(1-methoxypropan-2-yl)-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine (PubChem CID 115915445) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-N-(1-methoxypropan-2-yl)-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(1-methoxypropan-2-yl)-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine
PubChem CID115915445
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-N-(1-methoxypropan-2-yl)-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine
SMILESCNc1cc(N(C)C(C)COC)nc(-c2ccccc2)n1
InChIInChI=1S/C16H22N4O/c1-12(11-21-4)20(3)15-10-14(17-2)18-16(19-15)13-8-6-5-7-9-13/h5-10,12H,11H2,1-4H3,(H,17,18,19)
InChIKeyIEWLVUVFODCCIB-UHFFFAOYSA-N
XLogP2.66
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1-methoxypropan-2-yl)-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(1-methoxypropan-2-yl)-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine (CID 115915445) is 4-N-(1-methoxypropan-2-yl)-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(1-methoxypropan-2-yl)-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(1-methoxypropan-2-yl)-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine is CNc1cc(N(C)C(C)COC)nc(-c2ccccc2)n1.
What is the InChIKey of 4-N-(1-methoxypropan-2-yl)-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine?
The InChIKey is IEWLVUVFODCCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12(11-21-4)20(3)15-10-14(17-2)18-16(19-15)13-8-6-5-7-9-13/h5-10,12H,11H2,1-4H3,(H,17,18,19).
What are the key properties of 4-N-(1-methoxypropan-2-yl)-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine?
4-N-(1-methoxypropan-2-yl)-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine has a molecular weight of 286.38 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-methoxypropan-2-yl)-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 115915445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).